ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_10 ✕	no_equ_2 ✕	distance ✕	PBC ✕
1	Cu₅₄Li	ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	1.865	TTT
2	BeCu₅₄	ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	1.012	TTT
3	Cu₅₄B	ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	0.409	TTT
4	Cu₅₄C	ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	0.260	TTT
5	Cu₅₄N	ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	0.399	TTT
6	Cu₅₄O	ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	0.772	TTT
7	Cu₅₄F	ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	1.238	TTT
8	Cu₅₄Ar	ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	3.861	TTT